methyl 2-[2-(1H-indol-3-yl)ethenyl]-6-methoxybenzoate

methyl 2-[2-(1H-indol-3-yl)ethenyl]-6-methoxybenzoate

CAS: 11719-38-1

Formula: C19H17NO3

SMILES: COC(=O)C1=C(C=CC2=CNC3=CC=CC=C23)C=CC=C1OC

IUPAC: methyl 2-[2-(1H-indol-3-yl)ethenyl]-6-methoxybenzoate

InChI: InChI=1S/C19H17NO3/c1-22-17-9-5-6-13(18(17)19(21)23-2)10-11-14-12-20-16-8-4-3-7-15(14)16/h3-12,20H,1-2H3

Composition: C (74.25%), H (5.58%), N (4.56%), O (15.62%)

Molar Mass: 307.349

Atom Count: 40

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	307.120843411
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VSSMMQMINJYYQD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.09
Topological Polar Surface Area	51.32
Polarizability	35.53
Ring Count	3
Rotatable Bond Count	5

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